SCHEMBL7384225

SCHEMBL7384225

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC(=O)N(C)C)C(=O)[C@@H](CC(=O)NCCc1ccccn1)CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.52
▸ CTSD P07339 2/20 0.44
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CTSE P14091 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7394858 0.94 REN (0.46) RENCTSDHPGDRECQLSMN1; SMN2
SCHEMBL7387941 0.89 MMP2 (0.49) RENMMP1MMP2MMP3
SCHEMBL7281027 0.88 REN (0.51) RENCTSDMMP1MMP2MMP3
SCHEMBL7392096 0.86 MMP3 (0.44) RENCTSDMMP1MMP2MMP3
SCHEMBL7389083 0.84 REN (0.51) RENCTSDHPGDRECQLSMN1; SMN2
SCHEMBL7394306 0.83 BCHE (0.40) RENMMP1MMP2MMP3MEN1
SCHEMBL7391215 0.83 BCHE (0.40) RENMMP1MMP2MMP3MEN1
SCHEMBL7389362 0.83 REN (0.57) RENCTSDHPGDRECQLSMN1; SMN2
SCHEMBL7390565 0.82 GAA (0.42) RENHPGDSMN1; SMN2KMT2ACYP3A4
SCHEMBL7385470 0.82 REN (0.46) RENCTSDHPGDRECQLSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 — — EP claimed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO claimed
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